5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine

C15H17F3N4O2S — CID 145374312

IUPAC5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCOc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1SC(F)(F)F
InChIInChI=1S/C15H17F3N4O2S/c1-7(2)12-9(24-10-6-20-8(3)21-13(10)19)5-11(14(22-12)23-4)25-15(16,17)18/h5-7H,1-4H3,(H2,19,20,21)
InChIKeyVRRSZZNKDZKXPO-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.30
Rot. Bonds5

About 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine

5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine (PubChem CID 145374312) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
PubChem CID145374312
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC Name5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCOc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1SC(F)(F)F
InChIInChI=1S/C15H17F3N4O2S/c1-7(2)12-9(24-10-6-20-8(3)21-13(10)19)5-11(14(22-12)23-4)25-15(16,17)18/h5-7H,1-4H3,(H2,19,20,21)
InChIKeyVRRSZZNKDZKXPO-UHFFFAOYSA-N
XLogP4.30
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine with MolForge

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Related Compounds

US10155760, Example 139
CID 129279900
US10544120, Example 319
CID 135282515
US10155760, Example 150
CID 129279903
US10544120, Example 359
CID 135282554
US10544120, Example 318
CID 135282889
US10544120, Example 279
CID 135390514
5-(2-(2,2-Difluorocyclopropyl)-6-(methylthio)pyrimidin-4-yl)-3-(difluoromethoxy)pyridin-2-amine
CID 117679168
5-[[2-(Difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419792
5-[[4-(Difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420289
4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]pyridin-2-yl]-2-methylpyrimidine
CID 118429877
4-[4-(Difluoromethyl)-5-(2,4-dimethylpentoxy)-2-pyridinyl]-2-methylpyrimidine
CID 124022971
1-[2-(Difluoromethyl)-6-(2-methylpyrimidin-4-yl)pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine
CID 124036689

Frequently Asked Questions

What is the IUPAC name of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine (CID 145374312) is 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine is COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1SC(F)(F)F.
What is the InChIKey of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The InChIKey is VRRSZZNKDZKXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c1-7(2)12-9(24-10-6-20-8(3)21-13(10)19)5-11(14(22-12)23-4)25-15(16,17)18/h5-7H,1-4H3,(H2,19,20,21).
What are the key properties of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine has a molecular weight of 374.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 145374312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).